Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL2163928
Molecular formulaC26H32N2O3
IUPAC name(2R)-N-(1-adamantyl)-2-(2-methylpropyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
Molecular weight420.553
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50395138
Inchi KeyCYYSZAZPIWBLCE-JPGHVHQMSA-N
Inchi IDInChI=1S/C26H32N2O3/c1-15(2)6-19-14-31-22-5-3-4-20-23(22)28(19)13-21(24(20)29)25(30)27-26-10-16-7-17(11-26)9-18(8-16)12-26/h3-5,13,15-19H,6-12,14H2,1-2H3,(H,27,30)/t16?,17?,18?,19-,26?/m1/s1
PubChem CID60196095
ChEMBLCHEMBL2163928
IUPHARN/A
BindingDB50395138
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
54078Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
54079Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
54080Cannabinoid receptor 2Q9QZN9Cnr2Rattus norvegicus (Rat)360
54081Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

yangzhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218